UCSF

ZINC37268209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.15 0.82 -56.58 6 7 1 116 294.36 5
Mid Mid (pH 6-8) -0.33 0.01 -48.36 5 7 0 122 293.352 5
Mid Mid (pH 6-8) -0.15 -1.37 -25.81 5 7 0 114 293.352 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )